(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride

C13H14ClN3O2 — CID 70171944

IUPAC(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCN(c2cccc3ncc(O)cc23)C1=O
InChIInChI=1S/C13H13N3O2.ClH/c14-10-4-5-16(13(10)18)12-3-1-2-11-9(12)6-8(17)7-15-11;/h1-3,6-7,10,17H,4-5,14H2;1H/t10-;/m0./s1
InChIKeyCSCMSPOTKXKHBJ-PPHPATTJSA-N
MW279.73 g/mol
LogP1.43
Rot. Bonds1

About (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride

(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 70171944) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride
PubChem CID70171944
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCN(c2cccc3ncc(O)cc23)C1=O
InChIInChI=1S/C13H13N3O2.ClH/c14-10-4-5-16(13(10)18)12-3-1-2-11-9(12)6-8(17)7-15-11;/h1-3,6-7,10,17H,4-5,14H2;1H/t10-;/m0./s1
InChIKeyCSCMSPOTKXKHBJ-PPHPATTJSA-N
XLogP1.43
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride (CID 70171944) is (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride is Cl.N[C@H]1CCN(c2cccc3ncc(O)cc23)C1=O.
What is the InChIKey of (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is CSCMSPOTKXKHBJ-PPHPATTJSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c14-10-4-5-16(13(10)18)12-3-1-2-11-9(12)6-8(17)7-15-11;/h1-3,6-7,10,17H,4-5,14H2;1H/t10-;/m0./s1.
What are the key properties of (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride?
(3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(3-hydroxyquinolin-5-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 70171944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).